MolNFT v1 · #128806 · protein
Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain with proline bound.
5O1O · Alpha-aminoadipic semialdehyde synthase, mitochondrial: “Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain with proline…”. X-ray diffraction, 1 ligand (PRO), 5 pockets (best…
- PDB
- 5O1O
- Type
- protein
- Length
- 874 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-aminoadipic semialdehyde synthase, mitochondrial
- EC
- 1.5.1.8, 1.5.1.9
- UniProt
- Q9UDR5
- Ligands
- PRO
- Pockets
- 5 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-aminoadipic semialdehyde synthase, mitochondrial (EC 1.5.1.8, 1.5.1.9) | protein | 439 | 38% helix, 24% strand | Q9UDR5 |
| B | Alpha-aminoadipic semialdehyde synthase, mitochondrial (EC 1.5.1.8, 1.5.1.9) | protein | 435 | 38% helix, 25% strand | Q9UDR5 |
Ligands and binding sites
- PRO · Proline · ligand · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 908 | 0.73 | 0.77 | 89 | EDO, PRO |
| 2 | 901 | 0.73 | 0.77 | 88 | PRO |
| 3 | 185 | 0.53 | 0.79 | 23 | empty |
| 4 | 130 | 0.47 | 0.78 | 22 | empty |
| 5 | 69 | 0.32 | 0.76 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1110 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 5O1O · Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9UDR5 · AlphaFold monomer V2.0 prediction for alpha-aminoadipic semialdehyde synthase… · a predicted model of the same protein · chain A against A, TM-score 0.93
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q9UDR5
- Elsewhere: RCSB PDB 5O1O · PDBe 5O1O · UniProt Q9UDR5
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